Effects of dopants on the adhesion and electronic structure of a SnO2/Cu interface: a first-principles study-Reference-Cited by-同舟云学术

Effects of dopants on the adhesion and electronic structure of a SnO2/Cu interface: a first-principles study

Published:2018 Issue:23 Volume:20 Page:15618-15625
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Wei-Jian¹²³⁴⁵,Shao Wen-Zhu¹²³⁴⁵^ORCID,Chen Qing¹²³⁴,Zhang Lu¹²³⁴,Han Yu⁶⁷⁸⁴,Chen Bao-An⁶⁷⁸⁴,Wang Qiang⁹¹⁰⁴,Zhen Liang¹²³⁴

Affiliation:

1. School of Materials Science and Engineering

2. Harbin Institute of Technology

3. Harbin 150001

4. China

5. National Key Laboratory of Precision Hot Processing of Metals

6. State Key Laboratory of Advance Transmission Technology

7. Global Energy Interconnection Research Institute

8. Beijing 102209

9. State Grid Shanxi Electric Power Company

10. Taiyuan 030001

Abstract

Using first-principles calculations, low-valence doping was found to enhance the interface adhesion of SnO₂/Cu and was attributed to the formation of covalent bonds.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2018/CP/C8CP00744F

Reference68 articles.

1. Interface structure of Nb films on single crystal MgO(100) and MgO(111) substrates

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4. Preferred orientation relationships at the Cu/α−Al2O3 interface: Identification and theoretical explanation

5. Interface Energy of Semicoherent Metal-Ceramic Interfaces

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